5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C20H21N4O2S- MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=NN=C(N3C4=CC=CC=C4)[S-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=NN=C(N3C4=CC=CC=C4)[S-])OC

InChI

InChI=1S/C20H22N4O2S/c1-25-17-10-14-8-9-23(12-15(14)11-18(17)26-2)13-19-21-22-20(27)24(19)16-6-4-3-5-7-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,27)/p-1